Information card for entry 7006882

Structure parameters

• Common name: lithium 2,6-di-t-butyl-4-cyanophenoxide THF
• Formula: C23 H36 Li N O3
• Calculated formula: C23 H36 Li N O3
• Title of publication: 4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.
• Authors of publication: MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 15
• Pages of publication: 1875 - 1884
• a: 11.915 ± 0.0002 Å
• b: 14.8575 ± 0.0002 Å
• c: 12.5174 ± 0.0003 Å
• α: 90°
• β: 91.759 ± 0.001°
• γ: 90°
• Cell volume: 2214.87 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No